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BioLiP

PDB CCD ID: UZ4
Number of entries in BioLiP: 0
Chemical formula: C8 H14 N2 O4
InChI: InChI=1S/C8H14N2O4/c9-5(6(11)8(13)14)3-4-1-2-10-7(4)12/h4-6,11H,1-3,9H2,(H,10,12)(H,13,14)/t4-,5-,6+/m0/s1
InChIKey: YERLKFCTXVNUDF-HCWXCVPCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N
CACTVS 3.385N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)C(O)=O
CACTVS 3.385N[CH](C[CH]1CCNC1=O)[CH](O)C(O)=O
ACDLabs 12.01NC(C(O)C(O)=O)CC1CCNC1=O
OpenEye OEToolkits 2.0.7C1CNC(=O)C1CC(C(C(=O)O)O)N
Name:(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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